SCHEMBL9484609

SCHEMBL9484609

Nc1ccc(CC(NS(=O)(=O)c2cccc3cnccc23)C(=O)N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.70
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
CAMK2D Q13557 1/20 0.57
P2RX4 Q99571 1/20 0.57
CAMK2A Q9UQM7 1/20 0.57
F2 P00734 6/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9484617 1.00 P2RX7 (0.70) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483177 0.93 P2RX7 (0.71) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483169 0.93 P2RX7 (0.71) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483404 0.92 P2RX7 (0.70) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483407 0.92 P2RX7 (0.70) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9488957 0.90 P2RX7 (0.68) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9488961 0.90 P2RX7 (0.68) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483577 0.90 P2RX7 (0.67) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483580 0.90 P2RX7 (0.67) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484591 0.89 P2RX7 (0.87) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed